3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol

C15H14BrClFNO — CID 65186090

IUPAC3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
SMILESNCC(c1cccc(Cl)c1)C(O)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H14BrClFNO/c16-13-5-4-10(7-14(13)18)15(20)12(8-19)9-2-1-3-11(17)6-9/h1-7,12,15,20H,8,19H2
InChIKeyQCULVUTVUGJZQQ-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.02
Rot. Bonds4

About 3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol

3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol (PubChem CID 65186090) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
PubChem CID65186090
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
SMILESNCC(c1cccc(Cl)c1)C(O)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H14BrClFNO/c16-13-5-4-10(7-14(13)18)15(20)12(8-19)9-2-1-3-11(17)6-9/h1-7,12,15,20H,8,19H2
InChIKeyQCULVUTVUGJZQQ-UHFFFAOYSA-N
XLogP4.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 65186071
3-amino-1-(3-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189903
3-amino-1-(2-bromo-5-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186180
3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
CID 65186275
3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186472
3-amino-2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-1-ol
CID 65188081
3-amino-2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 65185993
[(4-bromo-3-fluorophenyl)-(3-chlorophenyl)methyl]hydrazine
CID 105289235
3-amino-1-(4-bromo-3-chlorophenyl)-2-phenylpropan-1-ol
CID 81307524
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol
CID 65190263
3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190026
3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol
CID 65186281

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol (CID 65186090) is 3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol is NCC(c1cccc(Cl)c1)C(O)c1ccc(Br)c(F)c1.
What is the InChIKey of 3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol?
The InChIKey is QCULVUTVUGJZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c16-13-5-4-10(7-14(13)18)15(20)12(8-19)9-2-1-3-11(17)6-9/h1-7,12,15,20H,8,19H2.
What are the key properties of 3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol?
3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol has a molecular weight of 358.64 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol is sourced from PubChem (CID 65186090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).